1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene

C14H12F2O — CID 119008947

IUPAC1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene
SMILESCOc1ccc(C)cc1-c1cccc(F)c1F
InChIInChI=1S/C14H12F2O/c1-9-6-7-13(17-2)11(8-9)10-4-3-5-12(15)14(10)16/h3-8H,1-2H3
InChIKeyCKDXIEYKRFLSPO-UHFFFAOYSA-N
MW234.24 g/mol
LogP3.95
Rot. Bonds2

About 1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene

1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene (PubChem CID 119008947) has the molecular formula C14H12F2O and a molecular weight of 234.24 g/mol. Its IUPAC name is 1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene
PubChem CID119008947
Molecular FormulaC14H12F2O
Molecular Weight234.24 g/mol
Exact Mass234.09
IUPAC Name1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene
SMILESCOc1ccc(C)cc1-c1cccc(F)c1F
InChIInChI=1S/C14H12F2O/c1-9-6-7-13(17-2)11(8-9)10-4-3-5-12(15)14(10)16/h3-8H,1-2H3
InChIKeyCKDXIEYKRFLSPO-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-difluoro-3-(2-methoxy-5-methylphenyl)-5-methylbenzene
CID 143974540
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
1-methoxy-2-[2-methoxy-3-(2-methoxy-5-methylphenyl)phenyl]-4-methylbenzene
CID 13360661
2,6-bis(2-methoxy-5-methylphenyl)phenol
CID 71343652
ethane;1,2,3,4,5-pentafluoro-6-(2-methoxy-5-methylphenyl)benzene
CID 144565369
4-fluoro-2-(2-methoxy-5-methylphenyl)-1H-benzimidazole
CID 64721931
2-fluoro-1-(2-methoxyphenyl)-4-methylbenzene
CID 155698567
2-(2,3-difluorophenyl)-6-methoxyphenol
CID 83130446
2,3-difluoro-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 61075554
1-fluoro-2-(2-fluoro-3-methylphenyl)-4-methylbenzene
CID 169173470
1,2-difluoro-3-[4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 118910762
9-fluoro-5-(2-methoxy-5-methylphenyl)-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
CID 69241629

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene?
The IUPAC name of 1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene (CID 119008947) is 1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene.
What is the SMILES notation for 1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene?
The canonical SMILES for 1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene is COc1ccc(C)cc1-c1cccc(F)c1F.
What is the InChIKey of 1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene?
The InChIKey is CKDXIEYKRFLSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O/c1-9-6-7-13(17-2)11(8-9)10-4-3-5-12(15)14(10)16/h3-8H,1-2H3.
What are the key properties of 1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene?
1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene has a molecular weight of 234.24 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene is sourced from PubChem (CID 119008947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).